C++ (Cpp) print_copyright_notice Examples

Example #1

File: generate-finc.c Project: OkoSanto/coda

int main()
{
    print_copyright_notice();

    PRINT_EMPTY;

    print_constants();

    PRINT_EMPTY;

    print_function_definitions();

    return 0;
}

Example #2

File: example2.cpp Project: daju1/winlibghemical

int main(int argc, char ** argv)
{
	print_lib_intro_notice(cout);
	print_copyright_notice(cout);
	cout << endl;
	
	// example #2: open a file, run a geometry optimization, and save a file.
	// ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
	char infile_name[1048];
	char outfile_name[1048];
	DWORD nFilterIndex;
	if (OpenFileDlg(0, "Ghemical Project File (*.gpr)\0*.gpr\0All files \0*.*\0", 
		infile_name, nFilterIndex) 
		!= S_OK)
	{
		return -1;
	}
	// check that we have got both file names from the command line.
	
	/*if (argc != 3)
	{
		cout << "usage : example2 infile.gpr outfile.gpr" << endl;
		exit(1);
	}
	
	char * infile_name = argv[1];
	char * outfile_name = argv[2];
	*/
	// create a model object, and read in a file.
	
	model * mdl = new model();
	
	cout << "trying to open a file " << infile_name << " ; ";
	
	ifstream ifile;
	ifile.open(infile_name, ios::in);
	
	if (ifile.fail())
	{
		cout << "failed!!!" << endl;
		
		ifile.close();
		delete mdl;
		
		return -1;
	}
	
	cout << "ok!!!" << endl;
	
	ReadGPR(* mdl, ifile, false, false);
	ifile.close();

	printf(
		"mdl->use_periodic_boundary_conditions = %d\n", 
		mdl->use_periodic_boundary_conditions);

	printf(
		"mdl->periodic_box_HALFdim[0] = %f\n", 
		mdl->periodic_box_HALFdim[0]);
	
	printf(
		"mdl->periodic_box_HALFdim[1] = %f\n", 
		mdl->periodic_box_HALFdim[1]);
	
	printf(
		"mdl->periodic_box_HALFdim[2] = %f\n", 
		mdl->periodic_box_HALFdim[2]);
	
	// if everything went fine, then create a computation engine object, initialize it,
	// and create a geometry optimizer object using the computation engine object.
	
	engine * eng = mdl->GetCurrentSetup()->CreateEngineByIDNumber(CURRENT_ENG1_MM);
//	engine * eng = mdl->GetCurrentSetup()->CreateEngineByIDNumber(ENG1_MM_TRIPOS52);
//	engine * eng = mdl->GetCurrentSetup()->CreateEngineByIDNumber(ENG1_MM_DEFAULT);

	// eng_pbc != NULL if we will use a system with periodic boundary conditions...
//	engine_pbc * eng_pbc = dynamic_cast<engine_pbc *>(eng);
#if USE_ENGINE_PBC_TST
	engine_pbc_tst * eng_pbc = dynamic_cast<engine_pbc_tst *>(eng);
#else
	engine_pbc * eng_pbc = dynamic_cast<engine_pbc *>(eng);
#endif /*USE_ENGINE_PBC_TST*/
	
	CopyCRD(mdl, eng, 0);
	CopyLockedCRD(mdl, eng, 0);

	printf("\n%f %f %f %f %f %f\n",
		mdl->maxCRD[0],
		mdl->minCRD[0],
		mdl->maxCRD[1],
		mdl->minCRD[1],
		mdl->maxCRD[2],
		mdl->minCRD[2]);

	mdl->periodic_box_HALFdim[0] = (mdl->maxCRD[0] - mdl->minCRD[0]+0.14) / 2.;
	mdl->periodic_box_HALFdim[1] = (mdl->maxCRD[1] - mdl->minCRD[1]+0.12) / 2.;

	mdl->periodic_box_HALFdim[0] = (mdl->maxCRD[0] - mdl->minCRD[0]) / 2. + 0.14;
	mdl->periodic_box_HALFdim[1] = (mdl->maxCRD[1] - mdl->minCRD[1]) / 2. + 0.12;

	printf(
		"mdl->use_periodic_boundary_conditions = %d\n", 
		mdl->use_periodic_boundary_conditions);

	printf(
		"mdl->periodic_box_HALFdim[0] = %f\n", 
		mdl->periodic_box_HALFdim[0]);
	
	printf(
		"mdl->periodic_box_HALFdim[1] = %f\n", 
		mdl->periodic_box_HALFdim[1]);
	
	printf(
		"mdl->periodic_box_HALFdim[2] = %f\n", 
		mdl->periodic_box_HALFdim[2]);
	
	
	geomopt * opt = new geomopt(eng, 100, 0.025, 10.0);
	
	// then take 100 geometry optimization steps, and print out some data about progess.
	
	for (int n1 = 0;n1 < 100;n1++)
	{
		opt->TakeCGStep(conjugate_gradient::Newton2An);
		eng_pbc->CheckLocations();
		
		cout << "step = " << (n1 + 1) << "   ";
		cout << "energy = " << opt->optval << "   ";
		cout << "step length = " << opt->optstp << endl;
	}
	
	// now copy the optimized coordinates back to the model object, and save the file.
	
	CopyCRD(eng, mdl, 0);
	
	delete opt; opt = NULL;
	delete eng; eng = NULL;
	
	//------------------------------------------------------------------
	TCHAR filter[] =     TEXT("Ghemical Project File (*.gpr)\0*.gpr\0")
						 TEXT("All Files (*.*)\0*.*\0");

	sprintf(outfile_name, "\0");
	if (SaveFileDlg(0, outfile_name, filter, nFilterIndex) == S_OK)
	{
		cout << "now saving file " << outfile_name << endl;
		ofstream ofile;
		ofile.open(outfile_name, ios::out);
		
		WriteGPR_v100(* mdl, ofile);
		ofile.close();
	}
	
	// finally release all allocated memory and leave.
	
	delete mdl; mdl = NULL;
	
	return 0;
}